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Compound Detail

CHEMBL1206891

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N#CC(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL1206891
Phase Preclinical
Structure Type MOL
InChI Key SEFXAYXYMFOTKA-CTRKQEPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
3.43
ALogP
4
HBA
3
HBD
101.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F2NO4
MW 399.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.21

Data from ChEMBL 36 via Core Engine